palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)

C40H32F6O4P2Pd — CID 10909083

IUPACpalladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C2HF3O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;/h2*1-15H;2*(H,6,7);
InChIKeyFRTWYMPBPRKEKQ-UHFFFAOYSA-N
MW859.05 g/mol
LogP8.15
Rot. Bonds6

About palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)

palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane) (PubChem CID 10909083) has the molecular formula C40H32F6O4P2Pd and a molecular weight of 859.05 g/mol. Its IUPAC name is palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane).

Molecular Properties

Compound Namepalladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)
PubChem CID10909083
Molecular FormulaC40H32F6O4P2Pd
Molecular Weight859.05 g/mol
Exact Mass858.07
IUPAC Namepalladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C2HF3O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;/h2*1-15H;2*(H,6,7);
InChIKeyFRTWYMPBPRKEKQ-UHFFFAOYSA-N
XLogP8.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.05
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)?
The IUPAC name of palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane) (CID 10909083) is palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane).
What is the SMILES notation for palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)?
The canonical SMILES for palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)?
The InChIKey is FRTWYMPBPRKEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C2HF3O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;/h2*1-15H;2*(H,6,7);.
What are the key properties of palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)?
palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane) has a molecular weight of 859.05 g/mol, XLogP of 8.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane) is sourced from PubChem (CID 10909083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).